neryl hexanoate
 
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IUPAC name :[(2Z)-3,7-dimethylocta-2,6-dienyl] hexanoate
InChI :InChI=1/C16H28O2/c1-5-6-7-11-16(17)18-13-12-15(4)10-8-9-14(2)3/h9,12H,5-8,10-11,13H2,1-4H3/b15-12-
InChIKey :ARVSCQUZFFSNKF-QINSGFPZBX
SMILES :CCCCCC(=O)OC\C=C(/C)\CCC=C(C)C
(EINECS) number :269-718-1
cas number :68310-59-8
molar refractivity :77.75 ± 0.3 cm3
parachor :660.2 ± 4.0 cm3
index of refraction :1.461 ± 0.02
surface tension :29.6 ± 3.0 dyne/cm
density :0.891 ± 0.06 g/cm3
polarizability :30.82 ± 0.5 10-24cm3
xlogp : 5.20
molecular weight : 252.3923200
formula :C16 H28 O2
 
 
export tariff code :unspecified
fda reg :unspecified
 
 

organoleptics :

properties :
Food Chemicals Codex Listed :No

safety :
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
  
flash point ( Deg. F. ) : 214.00  °F.  TCC  ( 101.11 °C. )
  
recommendation for neryl hexanoate usage levels up to :
  3.0000 % in the fragrance concentrate.
  

safety links :
(EINECS) number :269-718-1
chemidplus :068310598
epa-srs :68310-59-8
  

other :
 

references :
pubchem :687301
NIST Chemistry WebBook :1110623250
  
synonyms :
(Z)-3,7-dimethyl-2,6-octadienyl hexanoate
(Z)-geranyl caproate
(Z)-geranyl hexanoate
 hexanoic acid (2Z)-3,7-dimethyl-2,6-octadienyl ester
 neryl caproate
 neryl hexanoate
soluble in :
 alcohol
insoluble in :
 water
natural occurrence in :
data pagepepper tree berry oil @ 0.28%
data pagepepper tree leaf oil @ 2.94%
schinus molle oil



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